5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one

C14H8F3NO — CID 161212495

IUPAC5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one
SMILESO=c1cccc2cc(C(F)(F)F)c3ccc[nH]c3c12
InChIInChI=1S/C14H8F3NO/c15-14(16,17)10-7-8-3-1-5-11(19)12(8)13-9(10)4-2-6-18-13/h1-7,18H
InChIKeyHTBXJODZEAJMNE-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.70
Rot. Bonds

About 5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one

5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one (PubChem CID 161212495) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one
PubChem CID161212495
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one
SMILESO=c1cccc2cc(C(F)(F)F)c3ccc[nH]c3c12
InChIInChI=1S/C14H8F3NO/c15-14(16,17)10-7-8-3-1-5-11(19)12(8)13-9(10)4-2-6-18-13/h1-7,18H
InChIKeyHTBXJODZEAJMNE-UHFFFAOYSA-N
XLogP3.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-Hydroxybenzo(h)quinoline
CID 11816407
5-ethyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 23244054
Benzo(f)quinolin-9-ol
CID 188875
8-Hydroxybenzo[h]quinoline
CID 55268579
4-Methyl-10-hydroxybenzoquinoline
CID 102458884
7-(trifluoromethyl)-1H-benzo[h]quinolin-10-one
CID 118352654
9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one
CID 122422631
1-[7-(1,1-Difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone
CID 142910327
5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 147695886
2-methyl-5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one
CID 149885737
8-fluoro-6,7-dihydro-1H-quinolin-4-one
CID 167151910
Benzo[f]quinolin-7(4H)-one
CID 54318476

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one?
The IUPAC name of 5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one (CID 161212495) is 5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one.
What is the SMILES notation for 5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one?
The canonical SMILES for 5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one is O=c1cccc2cc(C(F)(F)F)c3ccc[nH]c3c12.
What is the InChIKey of 5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one?
The InChIKey is HTBXJODZEAJMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-14(16,17)10-7-8-3-1-5-11(19)12(8)13-9(10)4-2-6-18-13/h1-7,18H.
What are the key properties of 5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one?
5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one has a molecular weight of 263.22 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one is sourced from PubChem (CID 161212495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).